2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine

C14H19FN4O — CID 168590831

IUPAC2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(COC2CCCC2)c(F)c1
InChIInChI=1S/C14H19FN4O/c15-13-7-10(8-18-19-14(16)17)5-6-11(13)9-20-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H4,16,17,19)
InChIKeyMRJQEQUXYZSYJU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.89
Rot. Bonds5

About 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine

2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine (PubChem CID 168590831) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine
PubChem CID168590831
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(COC2CCCC2)c(F)c1
InChIInChI=1S/C14H19FN4O/c15-13-7-10(8-18-19-14(16)17)5-6-11(13)9-20-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H4,16,17,19)
InChIKeyMRJQEQUXYZSYJU-UHFFFAOYSA-N
XLogP1.89
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
CID 168532079
2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine
CID 168590874
2-[[4-(bromomethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168591296
2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 168590701
2-N-[[4-(cyclohexyloxymethyl)-3-fluorophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626145
4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
benzyl N'-[[4-(cyclopentyloxymethyl)phenyl]methylideneamino]carbamimidothioate
CID 168611477
2-(cycloheptyloxymethyl)-5-fluorobenzenecarbothioamide
CID 63290600

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine (CID 168590831) is 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(COC2CCCC2)c(F)c1.
What is the InChIKey of 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine?
The InChIKey is MRJQEQUXYZSYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-13-7-10(8-18-19-14(16)17)5-6-11(13)9-20-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H4,16,17,19).
What are the key properties of 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine?
2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine has a molecular weight of 278.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).